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> Main
CHEBI:131845 - 2-methylpropane-1,2-diol
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ChEBI Ontology
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ChEBI Name
2-methylpropane-1,2-diol
ChEBI ID
CHEBI:131845
Definition
A glycol that is 2-methylpropane in which the two hydroxy groups are located at positions 1 and 2..
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C4H10O2
Net Charge
0
Average Mass
90.121
Monoisotopic Mass
90.06808
InChI
InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKey
BTVWZWFKMIUSGS-UHFFFAOYSA-N
SMILES
OCC(C)(O)C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Mycobacterium
sp.
(NCBI:txid1547487)
of strain ELW1 See:
PubMed
Mycobacterium austroafricanum
(NCBI:txid39687)
of strain IFP 2015 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methylpropane-1,2-diol (
CHEBI:131845
)
has parent hydride
isobutane (
CHEBI:30363
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
has role
human urinary metabolite (
CHEBI:84087
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
has role
mouse metabolite (
CHEBI:75771
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
has role
rat metabolite (
CHEBI:86264
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
is a
glycol (
CHEBI:13643
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
is a
primary alcohol (
CHEBI:15734
)
2-methylpropane-1,2-diol (
CHEBI:131845
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
2-methylpropane-1,2-diol
Synonyms
Sources
2-Methyl-1,2-propanediol
NIST Chemistry WebBook
2-methylpropane-1,2-diol
UniProt
Isobutene glycol
ChemIDplus
isobutylene glycol
ChEBI
Manual Xref
Database
CPD-19013
MetaCyc
View more database links
Registry Numbers
Types
Sources
1361363
Reaxys Registry Number
Reaxys
558-43-0
CAS Registry Number
ChemIDplus
558-43-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10490504
PubMed citation
Europe PMC
11504147
PubMed citation
Europe PMC
11504149
PubMed citation
Europe PMC
12759095
PubMed citation
Europe PMC
16028043
PubMed citation
Europe PMC
17453936
PubMed citation
Europe PMC
1953344
PubMed citation
Europe PMC
20722584
PubMed citation
Europe PMC
23810710
PubMed citation
Europe PMC
25576605
PubMed citation
SUBMITTER
9179722
PubMed citation
Europe PMC
9537996
PubMed citation
Europe PMC
9625733
PubMed citation
Europe PMC
Last Modified
19 July 2016